≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=CN=C2C(=C1NCCCN(C)C)C=NN2C |
|---|---|
| IUPAC Name | ethyl 4-[3-(dimethylamino)propylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate |
| InChIKey | BWLBZNHBQXJOGS-UHFFFAOYSA-N |
| INCHI | 1S/C15H23N5O2/c1-5-22-15(21)12-9-17-14-11(10-18-20(14)4)13(12)16-7-6-8-19(2)3/h9-10H,5-8H2,1-4H3,(H,16,17) |
| Isomeric SMILES | CCOC(=O)C1=CN=C2C(=C1NCCCN(C)C)C=NN2C |
| PubChem CID | 3520883 |
| Molecular Weight | 305.38 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolopyridines |
| Alternative Parents | Pyridinecarboxylic acids Secondary alkylarylamines Aminopyridines and derivatives Vinylogous amides Pyrazoles Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aminopyridine - Secondary aliphatic/aromatic amine - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 305.380 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 305.185 Da |
| Monoisotopic Mass | 305.185 Da |
| Topological Polar Surface Area | 72.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![ethyl 4-{[3-(dimethylamino)propyl]amino}-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate - ≥90% , CAS No.685109-22-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)